Crystallography Open Database

Information card for entry 4504571

Preview

Coordinates	4504571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H91 Cl3 N6 O18 Sn6
Calculated formula	C67 H91 Cl3 N6 O18 Sn6
Title of publication	Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums
Authors of publication	Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	267
a	32.336 ± 0.003 Å
b	32.336 ± 0.003 Å
c	15.235 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	15930 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179580 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45.	4504571.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504571.cif
47423	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504568, 4504569, 4504570, 4504571 via cif-deposit CGI script.	4504571.cif